2-phenyl-3-(thiophene-2-carbonylamino)propanoic acid

C14H13NO3S — CID 62883489

IUPAC2-phenyl-3-(thiophene-2-carbonylamino)propanoic acid
SMILESO=C(NCC(C(=O)O)c1ccccc1)c1cccs1
InChIInChI=1S/C14H13NO3S/c16-13(12-7-4-8-19-12)15-9-11(14(17)18)10-5-2-1-3-6-10/h1-8,11H,9H2,(H,15,16)(H,17,18)
InChIKeyPEQZFPPJXGSYIZ-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.35
Rot. Bonds5

About 2-phenyl-3-(thiophene-2-carbonylamino)propanoic acid

2-phenyl-3-(thiophene-2-carbonylamino)propanoic acid (PubChem CID 62883489) has the molecular formula C14H13NO3S and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-phenyl-3-(thiophene-2-carbonylamino)propanoic acid.

Molecular Properties

Compound Name2-phenyl-3-(thiophene-2-carbonylamino)propanoic acid
PubChem CID62883489
Molecular FormulaC14H13NO3S
Molecular Weight275.33 g/mol
Exact Mass275.06
IUPAC Name2-phenyl-3-(thiophene-2-carbonylamino)propanoic acid
SMILESO=C(NCC(C(=O)O)c1ccccc1)c1cccs1
InChIInChI=1S/C14H13NO3S/c16-13(12-7-4-8-19-12)15-9-11(14(17)18)10-5-2-1-3-6-10/h1-8,11H,9H2,(H,15,16)(H,17,18)
InChIKeyPEQZFPPJXGSYIZ-UHFFFAOYSA-N
XLogP2.35
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-iodothiophene-3-carbonyl)amino]-2-phenylpropanoic acid
CID 79685262
N-[2-(1H-indol-3-yl)-2-phenylethyl]thiophene-2-carboxamide
CID 4880396
3-[(2,6-dichlorobenzoyl)amino]-2-phenylpropanoic acid
CID 155944087
3-[(4-iodobenzoyl)amino]-2-phenylpropanoic acid
CID 62883684
3-[(5-bromothiophene-3-carbonyl)amino]-2-phenylpropanoic acid
CID 62884007
N-(3-amino-3-phenylpropyl)thiophene-2-carboxamide
CID 80506792
N-(3-methyl-2-propan-2-ylbutyl)thiophene-2-carboxamide
CID 102908401
N-benzylthiophene-2-carboxamide
CID 574227
5-[(2-carboxy-2-phenylethyl)carbamoyl]benzene-1,3-dicarboxylic acid
CID 162349981
N-[2-(thiophene-2-carbonylamino)propyl]thiophene-2-carboxamide
CID 2837035
N-(2-bromo-4,4-dimethylpentyl)thiophene-2-carboxamide
CID 107156721
methyl 2-amino-3-(thiophene-2-carbonylamino)propanoate
CID 22661369

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-(thiophene-2-carbonylamino)propanoic acid?
The IUPAC name of 2-phenyl-3-(thiophene-2-carbonylamino)propanoic acid (CID 62883489) is 2-phenyl-3-(thiophene-2-carbonylamino)propanoic acid.
What is the SMILES notation for 2-phenyl-3-(thiophene-2-carbonylamino)propanoic acid?
The canonical SMILES for 2-phenyl-3-(thiophene-2-carbonylamino)propanoic acid is O=C(NCC(C(=O)O)c1ccccc1)c1cccs1.
What is the InChIKey of 2-phenyl-3-(thiophene-2-carbonylamino)propanoic acid?
The InChIKey is PEQZFPPJXGSYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3S/c16-13(12-7-4-8-19-12)15-9-11(14(17)18)10-5-2-1-3-6-10/h1-8,11H,9H2,(H,15,16)(H,17,18).
What are the key properties of 2-phenyl-3-(thiophene-2-carbonylamino)propanoic acid?
2-phenyl-3-(thiophene-2-carbonylamino)propanoic acid has a molecular weight of 275.33 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-(thiophene-2-carbonylamino)propanoic acid is sourced from PubChem (CID 62883489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).